new index	atom name	original index
1	C	13
2	C	12
3	C	10
4	C	11
5	C	8
6	C	9
7	C	7
8	O	6
9	O	4
10	O	5
11	O	2
12	O	3
13	O	1
14	H	27
15	H	26
16	H	25
17	H	19
18	H	17
19	H	18
20	H	15
21	H	16
22	H	14
23	H	24
24	H	22
25	H	23
26	H	20
27	H	21